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Chemical ID: 4514522
Chemical ID:
4514522
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c4n2CCNC4CCC3
InChi [?]:
InChI=1/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,13,16H,2-4,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,3,4,12,11,7,2,8,6,14,5,9,13,10/rA:17cCCCCCCCCCNCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s10;s11;s12;s9s13;s14;s15;s8s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.27854 |
Area: | 385.315 |
Solvation: | -1.35434 |
Coulombic: | -15.3761 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 226.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.81 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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